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54387-66-5 | 2,6-Dicyano-1-ethylpyridin-1-ium tetrafluoroborate
CAS No: 54387-66-5 Catalog No: AG01EWER MDL No:
Product Description
Catalog Number:
AG01EWER
Chemical Name:
2,6-Dicyano-1-ethylpyridin-1-ium tetrafluoroborate
CAS Number:
54387-66-5
Molecular Formula:
C9H8BF4N3
Molecular Weight:
244.9845
IUPAC Name:
1-ethylpyridin-1-ium-2,6-dicarbonitrile;tetrafluoroborate
InChI:
InChI=1S/C9H8N3.BF4/c1-2-12-8(6-10)4-3-5-9(12)7-11;2-1(3,4)5/h3-5H,2H2,1H3;/q+1;-1
InChI Key:
IUIZJRUBKOXEKU-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.N#Cc1cccc([n+]1CC)C#N
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.988g/mol
Monoisotopic Mass:
245.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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